1-(4-chlorophenyl)-3-(oxolan-2-yl)urea

C11H13ClN2O2 — CID 110706711

IUPAC1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCO1
InChIInChI=1S/C11H13ClN2O2/c12-8-3-5-9(6-4-8)13-11(15)14-10-2-1-7-16-10/h3-6,10H,1-2,7H2,(H2,13,14,15)
InChIKeyWOHLXQRPGJLHND-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.60
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea

1-(4-chlorophenyl)-3-(oxolan-2-yl)urea (PubChem CID 110706711) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
PubChem CID110706711
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCO1
InChIInChI=1S/C11H13ClN2O2/c12-8-3-5-9(6-4-8)13-11(15)14-10-2-1-7-16-10/h3-6,10H,1-2,7H2,(H2,13,14,15)
InChIKeyWOHLXQRPGJLHND-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
CID 110706706
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 110706756
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 110706680
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
CID 73138755

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea (CID 110706711) is 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1CCCO1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea?
The InChIKey is WOHLXQRPGJLHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-3-5-9(6-4-8)13-11(15)14-10-2-1-7-16-10/h3-6,10H,1-2,7H2,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea?
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea has a molecular weight of 240.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 110706711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).